A Resonance Raman spectroscopic study on charge transfer enhancement in photosensitizers

Triplets with a Twist: Ultrafast Intersystem Crossing in a Series of Electron Acceptor Materials Driven by Conformational Disorder

“…A subset of the acceptors (NIDCS, NIDCS-MO, NIDCS-2F, and NIDCS-M) was further benchmarked against Fourier transform Raman measurements, which show good agreement between the calculated and experimental data (Figures S43, S44 and Tables S2 and S3). − We also performed resonance Raman spectroscopy to probe the nature of the absorbing chromophore and thus provide a level of experimental validation to TD-DFT calculations. − These comparisons make it possible to test the accuracy of our calculations because the Raman intensities depend on the derivatives of the molecular polarizability with respect to displacement along each mode, making them sensitive to the second-order density response function. The resonance Raman data show enhancements of a number of bands, notably a high-frequency mode lying between 1580 and 1600 cm –1 (Figure S47).…”

Deciphering Photoinduced Catalytic Reaction Mechanisms in Natural and Artificial Photosynthetic Systems on Multiple Temporal and Spatial Scales Using X-ray Probes

“…In comparison to the Cu diimine and TiO 2 hybrid, this example showed that owing to reduced electronic coupling between the dye and ZnO and a low density of charge-accepting states in the substrate, ICT from the 3 MLCT state was much slower, on the ∼100 ps time scale; that is, the electrons are temporarily retained on the molecular dye . In the intermediate interfacial state model, photoexcitation of the dye leads to fast (≤100 fs to ≤5 ps) ,− formation of an interfacial complex (IC) at the dye–semiconductor interface with either neutral exciplex or ionic charge-transfer character.…”